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Summary

Name:[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
Formula:C8 H21 N O6 P2
Formal charge:0
Molecular weight:289.203 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
OpenEye OEToolkits1.7.6[2-(hexylamino)-1-phosphono-ethyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)C(CNCCCCCC)P(=O)(O)O
InChIInChI1.03InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyInChI1.03QDLXIUDMSHZYCG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCCCCNCC([P](O)(O)=O)[P](O)(O)=O
SMILESCACTVS3.370CCCCCCNCC([P](O)(O)=O)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCNCC(P(=O)(O)O)P(=O)(O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCNCC(P(=O)(O)O)P(=O)(O)O